USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 326 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 917 THR OG1 : rot 26:sc= 0.0506 USER MOD Set 1.2: A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 921 MET CE :methyl 178:sc= -0.466 (180deg=-0.488) USER MOD Single : A 923 HIS : no HD1:sc= -0.765 X(o=-0.77,f=-0.32) USER MOD Single : A 927 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 935 ASN : amide:sc= -4.86! C(o=-4.9!,f=-7.3!) USER MOD Single : A 940 LYS NZ :NH3+ -140:sc= -0.127 (180deg=-1.21) USER MOD Single : A 941 LYS NZ :NH3+ 157:sc= 0.16 (180deg=0.0409) USER MOD Single : A 942 HIS : no HE2:sc= -5.02! C(o=-5!,f=-7.5!) USER MOD Single : A 943 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.59) USER MOD Single : A 945 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.83) USER MOD Single : A 948 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.3!) USER MOD Single : A 951 THR OG1 : rot 86:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 9.545 2.394 -19.128 1.00 52.14 N ATOM 115 CA THR A 917 9.909 1.411 -20.141 1.00 0.12 C ATOM 116 C THR A 917 10.191 2.081 -21.481 1.00 24.32 C ATOM 117 O THR A 917 11.092 1.671 -22.212 1.00 60.05 O ATOM 118 CB THR A 917 8.798 0.360 -20.329 1.00 5.42 C ATOM 119 OG1 THR A 917 8.571 -0.337 -19.099 1.00 70.43 O ATOM 120 CG2 THR A 917 9.172 -0.632 -21.420 1.00 33.25 C ATOM 0 HA THR A 917 10.813 0.914 -19.789 1.00 0.12 H new ATOM 0 HB THR A 917 7.885 0.876 -20.627 1.00 5.42 H new ATOM 0 HG1 THR A 917 8.825 0.237 -18.346 1.00 70.43 H new ATOM 0 HG21 THR A 917 8.373 -1.364 -21.535 1.00 33.25 H new ATOM 0 HG22 THR A 917 9.316 -0.101 -22.361 1.00 33.25 H new ATOM 0 HG23 THR A 917 10.096 -1.142 -21.147 1.00 33.25 H new ATOM 128 N ALA A 918 9.416 3.113 -21.796 1.00 45.40 N ATOM 129 CA ALA A 918 9.586 3.842 -23.047 1.00 73.43 C ATOM 130 C ALA A 918 11.012 4.362 -23.191 1.00 13.52 C ATOM 131 O ALA A 918 11.579 4.354 -24.283 1.00 55.01 O ATOM 132 CB ALA A 918 8.591 4.990 -23.128 1.00 4.51 C ATOM 0 H ALA A 918 8.664 3.463 -21.202 1.00 45.40 H new ATOM 0 HA ALA A 918 9.395 3.153 -23.869 1.00 73.43 H new ATOM 0 HB1 ALA A 918 8.729 5.526 -24.067 1.00 4.51 H new ATOM 0 HB2 ALA A 918 7.576 4.596 -23.081 1.00 4.51 H new ATOM 0 HB3 ALA A 918 8.754 5.672 -22.294 1.00 4.51 H new ATOM 138 N ALA A 919 11.586 4.816 -22.081 1.00 75.12 N ATOM 139 CA ALA A 919 12.946 5.339 -22.084 1.00 11.42 C ATOM 140 C ALA A 919 13.966 4.216 -22.238 1.00 10.51 C ATOM 141 O ALA A 919 14.913 4.327 -23.018 1.00 71.31 O ATOM 142 CB ALA A 919 13.212 6.125 -20.808 1.00 75.01 C ATOM 0 H ALA A 919 11.130 4.832 -21.169 1.00 75.12 H new ATOM 0 HA ALA A 919 13.050 6.008 -22.938 1.00 11.42 H new ATOM 0 HB1 ALA A 919 14.232 6.510 -20.824 1.00 75.01 H new ATOM 0 HB2 ALA A 919 12.511 6.957 -20.740 1.00 75.01 H new ATOM 0 HB3 ALA A 919 13.084 5.472 -19.945 1.00 75.01 H new ATOM 148 N LEU A 920 13.768 3.137 -21.490 1.00 31.13 N ATOM 149 CA LEU A 920 14.672 1.993 -21.543 1.00 35.13 C ATOM 150 C LEU A 920 14.756 1.431 -22.958 1.00 74.50 C ATOM 151 O LEU A 920 15.815 0.985 -23.397 1.00 43.35 O ATOM 152 CB LEU A 920 14.204 0.904 -20.576 1.00 22.42 C ATOM 153 CG LEU A 920 13.825 1.371 -19.170 1.00 52.43 C ATOM 154 CD1 LEU A 920 13.452 0.185 -18.295 1.00 74.24 C ATOM 155 CD2 LEU A 920 14.966 2.160 -18.544 1.00 61.24 C ATOM 0 H LEU A 920 12.990 3.030 -20.839 1.00 31.13 H new ATOM 0 HA LEU A 920 15.665 2.331 -21.247 1.00 35.13 H new ATOM 0 HB2 LEU A 920 13.342 0.403 -21.015 1.00 22.42 H new ATOM 0 HB3 LEU A 920 14.995 0.159 -20.489 1.00 22.42 H new ATOM 0 HG LEU A 920 12.957 2.025 -19.248 1.00 52.43 H new ATOM 0 HD11 LEU A 920 13.185 0.538 -17.299 1.00 74.24 H new ATOM 0 HD12 LEU A 920 12.603 -0.338 -18.734 1.00 74.24 H new ATOM 0 HD13 LEU A 920 14.300 -0.496 -18.224 1.00 74.24 H new ATOM 0 HD21 LEU A 920 14.678 2.484 -17.544 1.00 61.24 H new ATOM 0 HD22 LEU A 920 15.853 1.529 -18.480 1.00 61.24 H new ATOM 0 HD23 LEU A 920 15.185 3.033 -19.159 1.00 61.24 H new ATOM 167 N MET A 921 13.632 1.456 -23.667 1.00 51.32 N ATOM 168 CA MET A 921 13.580 0.952 -25.035 1.00 31.05 C ATOM 169 C MET A 921 14.520 1.740 -25.941 1.00 3.12 C ATOM 170 O MET A 921 15.120 1.185 -26.861 1.00 40.31 O ATOM 171 CB MET A 921 12.150 1.027 -25.575 1.00 4.25 C ATOM 172 CG MET A 921 11.229 -0.040 -25.006 1.00 41.11 C ATOM 173 SD MET A 921 9.820 -0.384 -26.078 1.00 3.24 S ATOM 174 CE MET A 921 8.495 -0.475 -24.876 1.00 24.42 C ATOM 0 H MET A 921 12.745 1.820 -23.317 1.00 51.32 H new ATOM 0 HA MET A 921 13.903 -0.089 -25.024 1.00 31.05 H new ATOM 0 HB2 MET A 921 11.736 2.010 -25.350 1.00 4.25 H new ATOM 0 HB3 MET A 921 12.175 0.933 -26.661 1.00 4.25 H new ATOM 0 HG2 MET A 921 11.795 -0.958 -24.851 1.00 41.11 H new ATOM 0 HG3 MET A 921 10.868 0.281 -24.029 1.00 41.11 H new ATOM 0 HE1 MET A 921 7.549 -0.648 -25.389 1.00 24.42 H new ATOM 0 HE2 MET A 921 8.687 -1.295 -24.184 1.00 24.42 H new ATOM 0 HE3 MET A 921 8.441 0.462 -24.322 1.00 24.42 H new ATOM 184 N ALA A 922 14.644 3.036 -25.674 1.00 52.21 N ATOM 185 CA ALA A 922 15.512 3.899 -26.465 1.00 5.44 C ATOM 186 C ALA A 922 16.977 3.514 -26.288 1.00 3.22 C ATOM 187 O ALA A 922 17.799 3.731 -27.179 1.00 73.14 O ATOM 188 CB ALA A 922 15.298 5.356 -26.082 1.00 41.43 C ATOM 0 H ALA A 922 14.154 3.511 -24.916 1.00 52.21 H new ATOM 0 HA ALA A 922 15.253 3.769 -27.516 1.00 5.44 H new ATOM 0 HB1 ALA A 922 15.953 5.989 -26.681 1.00 41.43 H new ATOM 0 HB2 ALA A 922 14.259 5.632 -26.265 1.00 41.43 H new ATOM 0 HB3 ALA A 922 15.528 5.492 -25.025 1.00 41.43 H new ATOM 194 N HIS A 923 17.299 2.942 -25.132 1.00 13.44 N ATOM 195 CA HIS A 923 18.666 2.527 -24.838 1.00 72.01 C ATOM 196 C HIS A 923 19.104 1.402 -25.771 1.00 51.11 C ATOM 197 O HIS A 923 20.271 1.321 -26.158 1.00 33.24 O ATOM 198 CB HIS A 923 18.782 2.073 -23.383 1.00 31.41 C ATOM 199 CG HIS A 923 18.483 3.155 -22.392 1.00 4.12 C ATOM 200 ND1 HIS A 923 18.526 4.497 -22.707 1.00 63.20 N ATOM 201 CD2 HIS A 923 18.134 3.088 -21.086 1.00 4.13 C ATOM 202 CE1 HIS A 923 18.218 5.208 -21.637 1.00 43.34 C ATOM 203 NE2 HIS A 923 17.976 4.377 -20.640 1.00 14.11 N ATOM 0 H HIS A 923 16.632 2.755 -24.384 1.00 13.44 H new ATOM 0 HA HIS A 923 19.322 3.383 -24.996 1.00 72.01 H new ATOM 0 HB2 HIS A 923 18.100 1.240 -23.216 1.00 31.41 H new ATOM 0 HB3 HIS A 923 19.791 1.699 -23.207 1.00 31.41 H new ATOM 0 HD2 HIS A 923 18.004 2.188 -20.503 1.00 4.13 H new ATOM 0 HE1 HIS A 923 18.172 6.286 -21.586 1.00 43.34 H new ATOM 0 HE2 HIS A 923 17.714 4.648 -19.692 1.00 14.11 H new ATOM 211 N LEU A 924 18.162 0.536 -26.129 1.00 1.22 N ATOM 212 CA LEU A 924 18.451 -0.585 -27.016 1.00 71.12 C ATOM 213 C LEU A 924 18.536 -0.123 -28.467 1.00 60.14 C ATOM 214 O LEU A 924 19.445 -0.512 -29.201 1.00 73.15 O ATOM 215 CB LEU A 924 17.375 -1.663 -26.875 1.00 20.24 C ATOM 216 CG LEU A 924 17.182 -2.238 -25.471 1.00 71.51 C ATOM 217 CD1 LEU A 924 15.798 -1.899 -24.941 1.00 13.33 C ATOM 218 CD2 LEU A 924 17.398 -3.745 -25.478 1.00 15.12 C ATOM 0 H LEU A 924 17.192 0.589 -25.819 1.00 1.22 H new ATOM 0 HA LEU A 924 19.416 -1.003 -26.730 1.00 71.12 H new ATOM 0 HB2 LEU A 924 16.425 -1.246 -27.209 1.00 20.24 H new ATOM 0 HB3 LEU A 924 17.619 -2.482 -27.551 1.00 20.24 H new ATOM 0 HG LEU A 924 17.922 -1.788 -24.810 1.00 71.51 H new ATOM 0 HD11 LEU A 924 15.679 -2.316 -23.941 1.00 13.33 H new ATOM 0 HD12 LEU A 924 15.680 -0.816 -24.899 1.00 13.33 H new ATOM 0 HD13 LEU A 924 15.042 -2.321 -25.603 1.00 13.33 H new ATOM 0 HD21 LEU A 924 17.257 -4.137 -24.471 1.00 15.12 H new ATOM 0 HD22 LEU A 924 16.681 -4.212 -26.153 1.00 15.12 H new ATOM 0 HD23 LEU A 924 18.411 -3.966 -25.815 1.00 15.12 H new ATOM 230 N PHE A 925 17.585 0.711 -28.874 1.00 73.23 N ATOM 231 CA PHE A 925 17.553 1.227 -30.238 1.00 14.44 C ATOM 232 C PHE A 925 18.821 2.016 -30.550 1.00 51.13 C ATOM 233 O PHE A 925 19.245 2.097 -31.702 1.00 63.45 O ATOM 234 CB PHE A 925 16.323 2.115 -30.440 1.00 42.53 C ATOM 235 CG PHE A 925 15.027 1.428 -30.118 1.00 4.14 C ATOM 236 CD1 PHE A 925 14.796 0.127 -30.534 1.00 14.11 C ATOM 237 CD2 PHE A 925 14.041 2.083 -29.398 1.00 52.34 C ATOM 238 CE1 PHE A 925 13.604 -0.509 -30.238 1.00 43.42 C ATOM 239 CE2 PHE A 925 12.848 1.453 -29.099 1.00 71.45 C ATOM 240 CZ PHE A 925 12.629 0.156 -29.521 1.00 32.41 C ATOM 0 H PHE A 925 16.826 1.044 -28.279 1.00 73.23 H new ATOM 0 HA PHE A 925 17.497 0.379 -30.921 1.00 14.44 H new ATOM 0 HB2 PHE A 925 16.419 3.003 -29.815 1.00 42.53 H new ATOM 0 HB3 PHE A 925 16.297 2.455 -31.475 1.00 42.53 H new ATOM 0 HD1 PHE A 925 15.555 -0.397 -31.096 1.00 14.11 H new ATOM 0 HD2 PHE A 925 14.207 3.097 -29.067 1.00 52.34 H new ATOM 0 HE1 PHE A 925 13.436 -1.524 -30.567 1.00 43.42 H new ATOM 0 HE2 PHE A 925 12.088 1.974 -28.536 1.00 71.45 H new ATOM 0 HZ PHE A 925 11.696 -0.337 -29.290 1.00 32.41 H new ATOM 250 N GLU A 926 19.420 2.597 -29.515 1.00 60.52 N ATOM 251 CA GLU A 926 20.639 3.380 -29.680 1.00 13.12 C ATOM 252 C GLU A 926 21.797 2.496 -30.131 1.00 64.42 C ATOM 253 O GLU A 926 22.761 2.974 -30.728 1.00 44.20 O ATOM 254 CB GLU A 926 21.000 4.084 -28.370 1.00 20.40 C ATOM 255 CG GLU A 926 20.295 5.416 -28.181 1.00 5.55 C ATOM 256 CD GLU A 926 20.785 6.478 -29.147 1.00 31.41 C ATOM 257 OE1 GLU A 926 21.871 7.045 -28.904 1.00 32.20 O ATOM 258 OE2 GLU A 926 20.083 6.741 -30.145 1.00 72.13 O ATOM 0 H GLU A 926 19.081 2.540 -28.555 1.00 60.52 H new ATOM 0 HA GLU A 926 20.457 4.130 -30.449 1.00 13.12 H new ATOM 0 HB2 GLU A 926 20.751 3.429 -27.535 1.00 20.40 H new ATOM 0 HB3 GLU A 926 22.078 4.245 -28.339 1.00 20.40 H new ATOM 0 HG2 GLU A 926 19.222 5.277 -28.314 1.00 5.55 H new ATOM 0 HG3 GLU A 926 20.448 5.762 -27.159 1.00 5.55 H new ATOM 265 N MET A 927 21.695 1.203 -29.841 1.00 22.32 N ATOM 266 CA MET A 927 22.734 0.251 -30.217 1.00 71.11 C ATOM 267 C MET A 927 22.557 -0.204 -31.662 1.00 50.24 C ATOM 268 O MET A 927 23.530 -0.346 -32.402 1.00 33.52 O ATOM 269 CB MET A 927 22.709 -0.960 -29.283 1.00 33.15 C ATOM 270 CG MET A 927 22.862 -0.598 -27.814 1.00 43.13 C ATOM 271 SD MET A 927 24.437 0.204 -27.458 1.00 3.42 S ATOM 272 CE MET A 927 25.173 -0.979 -26.332 1.00 14.53 C ATOM 0 H MET A 927 20.904 0.790 -29.347 1.00 22.32 H new ATOM 0 HA MET A 927 23.699 0.750 -30.127 1.00 71.11 H new ATOM 0 HB2 MET A 927 21.770 -1.496 -29.421 1.00 33.15 H new ATOM 0 HB3 MET A 927 23.510 -1.643 -29.566 1.00 33.15 H new ATOM 0 HG2 MET A 927 22.047 0.063 -27.520 1.00 43.13 H new ATOM 0 HG3 MET A 927 22.774 -1.501 -27.210 1.00 43.13 H new ATOM 0 HE1 MET A 927 26.155 -0.623 -26.021 1.00 14.53 H new ATOM 0 HE2 MET A 927 24.535 -1.093 -25.456 1.00 14.53 H new ATOM 0 HE3 MET A 927 25.278 -1.941 -26.833 1.00 14.53 H new ATOM 282 N GLY A 928 21.308 -0.430 -32.058 1.00 70.34 N ATOM 283 CA GLY A 928 21.027 -0.867 -33.414 1.00 1.14 C ATOM 284 C GLY A 928 20.252 -2.169 -33.454 1.00 63.13 C ATOM 285 O GLY A 928 20.382 -2.948 -34.399 1.00 25.12 O ATOM 0 H GLY A 928 20.486 -0.318 -31.465 1.00 70.34 H new ATOM 0 HA2 GLY A 928 20.459 -0.094 -33.931 1.00 1.14 H new ATOM 0 HA3 GLY A 928 21.965 -0.989 -33.955 1.00 1.14 H new ATOM 289 N PHE A 929 19.444 -2.407 -32.426 1.00 65.54 N ATOM 290 CA PHE A 929 18.647 -3.626 -32.347 1.00 64.11 C ATOM 291 C PHE A 929 17.381 -3.504 -33.190 1.00 2.44 C ATOM 292 O PHE A 929 17.110 -4.344 -34.048 1.00 20.42 O ATOM 293 CB PHE A 929 18.279 -3.926 -30.893 1.00 12.14 C ATOM 294 CG PHE A 929 19.448 -4.360 -30.055 1.00 52.42 C ATOM 295 CD1 PHE A 929 20.174 -5.491 -30.389 1.00 20.42 C ATOM 296 CD2 PHE A 929 19.820 -3.636 -28.934 1.00 11.22 C ATOM 297 CE1 PHE A 929 21.251 -5.893 -29.621 1.00 35.15 C ATOM 298 CE2 PHE A 929 20.896 -4.032 -28.162 1.00 73.40 C ATOM 299 CZ PHE A 929 21.611 -5.163 -28.505 1.00 61.00 C ATOM 0 H PHE A 929 19.324 -1.772 -31.637 1.00 65.54 H new ATOM 0 HA PHE A 929 19.245 -4.448 -32.740 1.00 64.11 H new ATOM 0 HB2 PHE A 929 17.834 -3.036 -30.448 1.00 12.14 H new ATOM 0 HB3 PHE A 929 17.518 -4.706 -30.873 1.00 12.14 H new ATOM 0 HD1 PHE A 929 19.896 -6.066 -31.260 1.00 20.42 H new ATOM 0 HD2 PHE A 929 19.263 -2.752 -28.660 1.00 11.22 H new ATOM 0 HE1 PHE A 929 21.810 -6.776 -29.893 1.00 35.15 H new ATOM 0 HE2 PHE A 929 21.177 -3.458 -27.292 1.00 73.40 H new ATOM 0 HZ PHE A 929 22.450 -5.476 -27.902 1.00 61.00 H new ATOM 309 N CYS A 930 16.610 -2.452 -32.938 1.00 0.21 N ATOM 310 CA CYS A 930 15.371 -2.219 -33.672 1.00 1.13 C ATOM 311 C CYS A 930 14.405 -3.386 -33.492 1.00 45.15 C ATOM 312 O CYS A 930 13.941 -3.976 -34.468 1.00 51.32 O ATOM 313 CB CYS A 930 15.666 -2.009 -35.158 1.00 12.34 C ATOM 314 SG CYS A 930 16.866 -0.699 -35.494 1.00 24.21 S ATOM 0 H CYS A 930 16.821 -1.747 -32.231 1.00 0.21 H new ATOM 0 HA CYS A 930 14.904 -1.319 -33.272 1.00 1.13 H new ATOM 0 HB2 CYS A 930 16.037 -2.943 -35.579 1.00 12.34 H new ATOM 0 HB3 CYS A 930 14.734 -1.774 -35.673 1.00 12.34 H new ATOM 0 HG CYS A 930 17.051 -0.599 -36.777 1.00 24.21 H new ATOM 320 N ASP A 931 14.109 -3.715 -32.240 1.00 3.40 N ATOM 321 CA ASP A 931 13.199 -4.812 -31.932 1.00 43.12 C ATOM 322 C ASP A 931 12.331 -4.475 -30.724 1.00 21.21 C ATOM 323 O ASP A 931 12.597 -4.929 -29.611 1.00 11.34 O ATOM 324 CB ASP A 931 13.986 -6.097 -31.668 1.00 43.53 C ATOM 325 CG ASP A 931 14.960 -6.419 -32.785 1.00 0.32 C ATOM 326 OD1 ASP A 931 14.503 -6.643 -33.925 1.00 54.33 O ATOM 327 OD2 ASP A 931 16.180 -6.446 -32.518 1.00 55.04 O ATOM 0 H ASP A 931 14.486 -3.238 -31.421 1.00 3.40 H new ATOM 0 HA ASP A 931 12.548 -4.964 -32.793 1.00 43.12 H new ATOM 0 HB2 ASP A 931 14.533 -5.999 -30.730 1.00 43.53 H new ATOM 0 HB3 ASP A 931 13.290 -6.927 -31.546 1.00 43.53 H new ATOM 332 N ARG A 932 11.293 -3.677 -30.951 1.00 45.44 N ATOM 333 CA ARG A 932 10.388 -3.277 -29.881 1.00 73.31 C ATOM 334 C ARG A 932 9.689 -4.493 -29.279 1.00 14.43 C ATOM 335 O ARG A 932 9.325 -4.491 -28.103 1.00 23.21 O ATOM 336 CB ARG A 932 9.348 -2.286 -30.407 1.00 72.32 C ATOM 337 CG ARG A 932 8.646 -2.754 -31.671 1.00 75.24 C ATOM 338 CD ARG A 932 7.169 -2.392 -31.655 1.00 34.44 C ATOM 339 NE ARG A 932 6.634 -2.213 -33.002 1.00 34.44 N ATOM 340 CZ ARG A 932 6.960 -1.197 -33.793 1.00 33.42 C ATOM 341 NH1 ARG A 932 7.815 -0.275 -33.374 1.00 54.41 N ATOM 342 NH2 ARG A 932 6.431 -1.103 -35.006 1.00 74.41 N ATOM 0 H ARG A 932 11.058 -3.295 -31.867 1.00 45.44 H new ATOM 0 HA ARG A 932 10.977 -2.794 -29.101 1.00 73.31 H new ATOM 0 HB2 ARG A 932 8.602 -2.109 -29.632 1.00 72.32 H new ATOM 0 HB3 ARG A 932 9.835 -1.331 -30.604 1.00 72.32 H new ATOM 0 HG2 ARG A 932 9.123 -2.303 -32.541 1.00 75.24 H new ATOM 0 HG3 ARG A 932 8.756 -3.834 -31.771 1.00 75.24 H new ATOM 0 HD2 ARG A 932 6.609 -3.176 -31.144 1.00 34.44 H new ATOM 0 HD3 ARG A 932 7.027 -1.475 -31.084 1.00 34.44 H new ATOM 0 HE ARG A 932 5.974 -2.906 -33.355 1.00 34.44 H new ATOM 0 HH11 ARG A 932 8.224 -0.345 -32.442 1.00 54.41 H new ATOM 0 HH12 ARG A 932 8.064 0.504 -33.983 1.00 54.41 H new ATOM 0 HH21 ARG A 932 5.773 -1.811 -35.332 1.00 74.41 H new ATOM 0 HH22 ARG A 932 6.682 -0.322 -35.613 1.00 74.41 H new ATOM 356 N GLN A 933 9.504 -5.527 -30.093 1.00 51.51 N ATOM 357 CA GLN A 933 8.847 -6.747 -29.640 1.00 64.23 C ATOM 358 C GLN A 933 9.747 -7.529 -28.689 1.00 4.53 C ATOM 359 O GLN A 933 9.268 -8.186 -27.764 1.00 5.25 O ATOM 360 CB GLN A 933 8.469 -7.622 -30.837 1.00 11.22 C ATOM 361 CG GLN A 933 9.632 -8.426 -31.395 1.00 42.41 C ATOM 362 CD GLN A 933 9.327 -9.028 -32.752 1.00 62.13 C ATOM 363 OE1 GLN A 933 8.195 -9.425 -33.028 1.00 34.12 O ATOM 364 NE2 GLN A 933 10.339 -9.099 -33.609 1.00 72.55 N ATOM 0 H GLN A 933 9.800 -5.544 -31.069 1.00 51.51 H new ATOM 0 HA GLN A 933 7.941 -6.464 -29.104 1.00 64.23 H new ATOM 0 HB2 GLN A 933 7.675 -8.307 -30.539 1.00 11.22 H new ATOM 0 HB3 GLN A 933 8.065 -6.988 -31.626 1.00 11.22 H new ATOM 0 HG2 GLN A 933 10.508 -7.782 -31.476 1.00 42.41 H new ATOM 0 HG3 GLN A 933 9.886 -9.224 -30.697 1.00 42.41 H new ATOM 0 HE21 GLN A 933 11.261 -8.758 -33.338 1.00 72.55 H new ATOM 0 HE22 GLN A 933 10.194 -9.495 -34.538 1.00 72.55 H new ATOM 373 N LEU A 934 11.053 -7.453 -28.922 1.00 20.23 N ATOM 374 CA LEU A 934 12.021 -8.154 -28.085 1.00 41.02 C ATOM 375 C LEU A 934 12.217 -7.431 -26.757 1.00 1.34 C ATOM 376 O LEU A 934 12.104 -8.031 -25.689 1.00 75.41 O ATOM 377 CB LEU A 934 13.360 -8.277 -28.814 1.00 42.03 C ATOM 378 CG LEU A 934 13.607 -9.597 -29.546 1.00 3.30 C ATOM 379 CD1 LEU A 934 12.451 -9.912 -30.483 1.00 25.45 C ATOM 380 CD2 LEU A 934 14.920 -9.543 -30.315 1.00 14.24 C ATOM 0 H LEU A 934 11.466 -6.913 -29.683 1.00 20.23 H new ATOM 0 HA LEU A 934 11.632 -9.152 -27.880 1.00 41.02 H new ATOM 0 HB2 LEU A 934 13.433 -7.465 -29.537 1.00 42.03 H new ATOM 0 HB3 LEU A 934 14.161 -8.132 -28.089 1.00 42.03 H new ATOM 0 HG LEU A 934 13.675 -10.394 -28.805 1.00 3.30 H new ATOM 0 HD11 LEU A 934 12.644 -10.855 -30.995 1.00 25.45 H new ATOM 0 HD12 LEU A 934 11.529 -9.994 -29.908 1.00 25.45 H new ATOM 0 HD13 LEU A 934 12.351 -9.114 -31.218 1.00 25.45 H new ATOM 0 HD21 LEU A 934 15.079 -10.491 -30.830 1.00 14.24 H new ATOM 0 HD22 LEU A 934 14.881 -8.735 -31.046 1.00 14.24 H new ATOM 0 HD23 LEU A 934 15.741 -9.365 -29.621 1.00 14.24 H new ATOM 392 N ASN A 935 12.510 -6.136 -26.831 1.00 22.41 N ATOM 393 CA ASN A 935 12.720 -5.330 -25.634 1.00 22.42 C ATOM 394 C ASN A 935 11.546 -5.471 -24.670 1.00 71.51 C ATOM 395 O ASN A 935 11.707 -5.348 -23.455 1.00 41.11 O ATOM 396 CB ASN A 935 12.911 -3.860 -26.011 1.00 2.12 C ATOM 397 CG ASN A 935 13.799 -3.686 -27.228 1.00 3.33 C ATOM 398 OD1 ASN A 935 14.824 -4.355 -27.363 1.00 0.51 O ATOM 399 ND2 ASN A 935 13.409 -2.783 -28.120 1.00 62.34 N ATOM 0 H ASN A 935 12.607 -5.623 -27.707 1.00 22.41 H new ATOM 0 HA ASN A 935 13.620 -5.691 -25.137 1.00 22.42 H new ATOM 0 HB2 ASN A 935 11.938 -3.409 -26.207 1.00 2.12 H new ATOM 0 HB3 ASN A 935 13.347 -3.325 -25.167 1.00 2.12 H new ATOM 0 HD21 ASN A 935 13.966 -2.621 -28.959 1.00 62.34 H new ATOM 0 HD22 ASN A 935 12.552 -2.252 -27.967 1.00 62.34 H new ATOM 406 N LEU A 936 10.365 -5.731 -25.220 1.00 32.43 N ATOM 407 CA LEU A 936 9.162 -5.890 -24.409 1.00 62.43 C ATOM 408 C LEU A 936 9.152 -7.246 -23.710 1.00 3.34 C ATOM 409 O LEU A 936 8.982 -7.326 -22.493 1.00 11.00 O ATOM 410 CB LEU A 936 7.913 -5.744 -25.281 1.00 24.45 C ATOM 411 CG LEU A 936 6.573 -5.944 -24.572 1.00 23.23 C ATOM 412 CD1 LEU A 936 6.645 -5.434 -23.141 1.00 21.12 C ATOM 413 CD2 LEU A 936 5.457 -5.245 -25.334 1.00 3.21 C ATOM 0 H LEU A 936 10.214 -5.836 -26.223 1.00 32.43 H new ATOM 0 HA LEU A 936 9.160 -5.110 -23.648 1.00 62.43 H new ATOM 0 HB2 LEU A 936 7.920 -4.750 -25.728 1.00 24.45 H new ATOM 0 HB3 LEU A 936 7.979 -6.461 -26.099 1.00 24.45 H new ATOM 0 HG LEU A 936 6.354 -7.011 -24.545 1.00 23.23 H new ATOM 0 HD11 LEU A 936 5.682 -5.585 -22.652 1.00 21.12 H new ATOM 0 HD12 LEU A 936 7.417 -5.980 -22.599 1.00 21.12 H new ATOM 0 HD13 LEU A 936 6.887 -4.371 -23.145 1.00 21.12 H new ATOM 0 HD21 LEU A 936 4.511 -5.398 -24.815 1.00 3.21 H new ATOM 0 HD22 LEU A 936 5.670 -4.178 -25.393 1.00 3.21 H new ATOM 0 HD23 LEU A 936 5.390 -5.658 -26.341 1.00 3.21 H new ATOM 425 N ARG A 937 9.338 -8.308 -24.486 1.00 61.11 N ATOM 426 CA ARG A 937 9.352 -9.660 -23.941 1.00 34.13 C ATOM 427 C ARG A 937 10.549 -9.862 -23.017 1.00 2.21 C ATOM 428 O ARG A 937 10.498 -10.661 -22.081 1.00 74.22 O ATOM 429 CB ARG A 937 9.388 -10.689 -25.072 1.00 73.11 C ATOM 430 CG ARG A 937 10.785 -10.955 -25.609 1.00 55.34 C ATOM 431 CD ARG A 937 11.412 -12.174 -24.952 1.00 10.45 C ATOM 432 NE ARG A 937 10.615 -13.379 -25.160 1.00 71.43 N ATOM 433 CZ ARG A 937 10.878 -14.544 -24.578 1.00 35.03 C ATOM 434 NH1 ARG A 937 11.911 -14.659 -23.755 1.00 34.33 N ATOM 435 NH2 ARG A 937 10.106 -15.596 -24.818 1.00 34.33 N ATOM 0 H ARG A 937 9.481 -8.259 -25.495 1.00 61.11 H new ATOM 0 HA ARG A 937 8.440 -9.800 -23.361 1.00 34.13 H new ATOM 0 HB2 ARG A 937 8.961 -11.626 -24.713 1.00 73.11 H new ATOM 0 HB3 ARG A 937 8.754 -10.342 -25.888 1.00 73.11 H new ATOM 0 HG2 ARG A 937 10.739 -11.105 -26.688 1.00 55.34 H new ATOM 0 HG3 ARG A 937 11.415 -10.083 -25.435 1.00 55.34 H new ATOM 0 HD2 ARG A 937 12.413 -12.328 -25.355 1.00 10.45 H new ATOM 0 HD3 ARG A 937 11.523 -11.993 -23.883 1.00 10.45 H new ATOM 0 HE ARG A 937 9.812 -13.324 -25.787 1.00 71.43 H new ATOM 0 HH11 ARG A 937 12.506 -13.852 -23.567 1.00 34.33 H new ATOM 0 HH12 ARG A 937 12.111 -15.554 -23.309 1.00 34.33 H new ATOM 0 HH21 ARG A 937 9.310 -15.511 -25.450 1.00 34.33 H new ATOM 0 HH22 ARG A 937 10.309 -16.490 -24.371 1.00 34.33 H new ATOM 449 N LEU A 938 11.627 -9.133 -23.286 1.00 54.30 N ATOM 450 CA LEU A 938 12.838 -9.231 -22.480 1.00 22.35 C ATOM 451 C LEU A 938 12.653 -8.542 -21.132 1.00 13.05 C ATOM 452 O LEU A 938 12.940 -9.120 -20.082 1.00 54.50 O ATOM 453 CB LEU A 938 14.022 -8.611 -23.224 1.00 12.12 C ATOM 454 CG LEU A 938 15.018 -9.595 -23.838 1.00 43.54 C ATOM 455 CD1 LEU A 938 15.554 -10.544 -22.778 1.00 71.12 C ATOM 456 CD2 LEU A 938 14.369 -10.372 -24.974 1.00 40.32 C ATOM 0 H LEU A 938 11.687 -8.467 -24.057 1.00 54.30 H new ATOM 0 HA LEU A 938 13.041 -10.287 -22.303 1.00 22.35 H new ATOM 0 HB2 LEU A 938 13.633 -7.975 -24.019 1.00 12.12 H new ATOM 0 HB3 LEU A 938 14.561 -7.963 -22.533 1.00 12.12 H new ATOM 0 HG LEU A 938 15.855 -9.028 -24.245 1.00 43.54 H new ATOM 0 HD11 LEU A 938 16.261 -11.237 -23.234 1.00 71.12 H new ATOM 0 HD12 LEU A 938 16.057 -9.972 -21.999 1.00 71.12 H new ATOM 0 HD13 LEU A 938 14.728 -11.105 -22.340 1.00 71.12 H new ATOM 0 HD21 LEU A 938 15.093 -11.067 -25.399 1.00 40.32 H new ATOM 0 HD22 LEU A 938 13.513 -10.928 -24.592 1.00 40.32 H new ATOM 0 HD23 LEU A 938 14.036 -9.678 -25.746 1.00 40.32 H new ATOM 468 N LEU A 939 12.170 -7.305 -21.167 1.00 75.11 N ATOM 469 CA LEU A 939 11.943 -6.537 -19.948 1.00 11.22 C ATOM 470 C LEU A 939 11.123 -7.340 -18.943 1.00 1.32 C ATOM 471 O LEU A 939 11.495 -7.458 -17.775 1.00 61.32 O ATOM 472 CB LEU A 939 11.228 -5.224 -20.274 1.00 31.50 C ATOM 473 CG LEU A 939 12.127 -4.045 -20.647 1.00 73.24 C ATOM 474 CD1 LEU A 939 11.337 -2.993 -21.410 1.00 0.43 C ATOM 475 CD2 LEU A 939 12.760 -3.442 -19.402 1.00 53.31 C ATOM 0 H LEU A 939 11.928 -6.812 -22.027 1.00 75.11 H new ATOM 0 HA LEU A 939 12.913 -6.314 -19.503 1.00 11.22 H new ATOM 0 HB2 LEU A 939 10.538 -5.404 -21.099 1.00 31.50 H new ATOM 0 HB3 LEU A 939 10.626 -4.937 -19.412 1.00 31.50 H new ATOM 0 HG LEU A 939 12.925 -4.411 -21.294 1.00 73.24 H new ATOM 0 HD11 LEU A 939 11.993 -2.161 -21.667 1.00 0.43 H new ATOM 0 HD12 LEU A 939 10.933 -3.432 -22.322 1.00 0.43 H new ATOM 0 HD13 LEU A 939 10.518 -2.631 -20.788 1.00 0.43 H new ATOM 0 HD21 LEU A 939 13.396 -2.604 -19.687 1.00 53.31 H new ATOM 0 HD22 LEU A 939 11.977 -3.091 -18.730 1.00 53.31 H new ATOM 0 HD23 LEU A 939 13.360 -4.198 -18.896 1.00 53.31 H new ATOM 487 N LYS A 940 10.006 -7.892 -19.405 1.00 1.53 N ATOM 488 CA LYS A 940 9.134 -8.687 -18.548 1.00 43.24 C ATOM 489 C LYS A 940 9.852 -9.939 -18.054 1.00 51.20 C ATOM 490 O LYS A 940 9.505 -10.495 -17.012 1.00 23.03 O ATOM 491 CB LYS A 940 7.863 -9.080 -19.304 1.00 40.24 C ATOM 492 CG LYS A 940 7.156 -7.905 -19.958 1.00 44.11 C ATOM 493 CD LYS A 940 5.808 -7.635 -19.312 1.00 32.51 C ATOM 494 CE LYS A 940 5.304 -6.237 -19.636 1.00 30.34 C ATOM 495 NZ LYS A 940 6.239 -5.185 -19.151 1.00 0.35 N ATOM 0 H LYS A 940 9.683 -7.803 -20.368 1.00 1.53 H new ATOM 0 HA LYS A 940 8.863 -8.080 -17.684 1.00 43.24 H new ATOM 0 HB2 LYS A 940 8.118 -9.812 -20.070 1.00 40.24 H new ATOM 0 HB3 LYS A 940 7.176 -9.568 -18.613 1.00 40.24 H new ATOM 0 HG2 LYS A 940 7.781 -7.015 -19.883 1.00 44.11 H new ATOM 0 HG3 LYS A 940 7.017 -8.108 -21.020 1.00 44.11 H new ATOM 0 HD2 LYS A 940 5.084 -8.373 -19.657 1.00 32.51 H new ATOM 0 HD3 LYS A 940 5.891 -7.751 -18.231 1.00 32.51 H new ATOM 0 HE2 LYS A 940 5.174 -6.138 -20.714 1.00 30.34 H new ATOM 0 HE3 LYS A 940 4.324 -6.090 -19.182 1.00 30.34 H new ATOM 0 HZ1 LYS A 940 5.694 -4.391 -18.757 1.00 0.35 H new ATOM 0 HZ2 LYS A 940 6.855 -5.582 -18.413 1.00 0.35 H new ATOM 0 HZ3 LYS A 940 6.821 -4.846 -19.943 1.00 0.35 H new ATOM 509 N LYS A 941 10.855 -10.377 -18.808 1.00 14.13 N ATOM 510 CA LYS A 941 11.624 -11.561 -18.445 1.00 72.55 C ATOM 511 C LYS A 941 12.599 -11.252 -17.314 1.00 33.21 C ATOM 512 O LYS A 941 12.730 -12.026 -16.365 1.00 34.01 O ATOM 513 CB LYS A 941 12.388 -12.090 -19.661 1.00 42.24 C ATOM 514 CG LYS A 941 13.021 -13.452 -19.437 1.00 24.12 C ATOM 515 CD LYS A 941 14.410 -13.530 -20.050 1.00 13.54 C ATOM 516 CE LYS A 941 15.341 -14.393 -19.213 1.00 0.15 C ATOM 517 NZ LYS A 941 16.210 -15.255 -20.061 1.00 32.23 N ATOM 0 H LYS A 941 11.154 -9.929 -19.674 1.00 14.13 H new ATOM 0 HA LYS A 941 10.927 -12.325 -18.101 1.00 72.55 H new ATOM 0 HB2 LYS A 941 11.706 -12.151 -20.509 1.00 42.24 H new ATOM 0 HB3 LYS A 941 13.167 -11.376 -19.929 1.00 42.24 H new ATOM 0 HG2 LYS A 941 13.083 -13.654 -18.368 1.00 24.12 H new ATOM 0 HG3 LYS A 941 12.387 -14.225 -19.871 1.00 24.12 H new ATOM 0 HD2 LYS A 941 14.341 -13.939 -21.058 1.00 13.54 H new ATOM 0 HD3 LYS A 941 14.826 -12.526 -20.141 1.00 13.54 H new ATOM 0 HE2 LYS A 941 15.964 -13.754 -18.587 1.00 0.15 H new ATOM 0 HE3 LYS A 941 14.752 -15.019 -18.543 1.00 0.15 H new ATOM 0 HZ1 LYS A 941 17.062 -15.522 -19.527 1.00 32.23 H new ATOM 0 HZ2 LYS A 941 15.689 -16.113 -20.333 1.00 32.23 H new ATOM 0 HZ3 LYS A 941 16.487 -14.733 -20.917 1.00 32.23 H new ATOM 531 N HIS A 942 13.280 -10.116 -17.420 1.00 0.33 N ATOM 532 CA HIS A 942 14.242 -9.703 -16.404 1.00 33.45 C ATOM 533 C HIS A 942 13.577 -8.817 -15.354 1.00 61.14 C ATOM 534 O HIS A 942 14.230 -8.341 -14.427 1.00 31.44 O ATOM 535 CB HIS A 942 15.411 -8.960 -17.050 1.00 10.33 C ATOM 536 CG HIS A 942 16.104 -9.747 -18.119 1.00 54.44 C ATOM 537 ND1 HIS A 942 16.997 -10.762 -17.848 1.00 52.52 N ATOM 538 CD2 HIS A 942 16.028 -9.664 -19.468 1.00 45.13 C ATOM 539 CE1 HIS A 942 17.442 -11.268 -18.984 1.00 45.11 C ATOM 540 NE2 HIS A 942 16.870 -10.620 -19.982 1.00 50.44 N ATOM 0 H HIS A 942 13.184 -9.465 -18.199 1.00 0.33 H new ATOM 0 HA HIS A 942 14.620 -10.599 -15.911 1.00 33.45 H new ATOM 0 HB2 HIS A 942 15.046 -8.026 -17.477 1.00 10.33 H new ATOM 0 HB3 HIS A 942 16.134 -8.696 -16.278 1.00 10.33 H new ATOM 0 HD1 HIS A 942 17.271 -11.073 -16.916 1.00 52.52 H new ATOM 0 HD2 HIS A 942 15.419 -8.975 -20.034 1.00 45.13 H new ATOM 0 HE1 HIS A 942 18.153 -12.075 -19.080 1.00 45.11 H new ATOM 548 N ASN A 943 12.275 -8.599 -15.509 1.00 62.45 N ATOM 549 CA ASN A 943 11.523 -7.769 -14.576 1.00 73.01 C ATOM 550 C ASN A 943 11.987 -6.317 -14.644 1.00 33.24 C ATOM 551 O ASN A 943 12.531 -5.783 -13.677 1.00 13.11 O ATOM 552 CB ASN A 943 11.678 -8.300 -13.150 1.00 14.05 C ATOM 553 CG ASN A 943 11.659 -9.815 -13.091 1.00 73.23 C ATOM 554 OD1 ASN A 943 10.876 -10.464 -13.786 1.00 23.54 O ATOM 555 ND2 ASN A 943 12.523 -10.386 -12.260 1.00 34.01 N ATOM 0 H ASN A 943 11.719 -8.986 -16.272 1.00 62.45 H new ATOM 0 HA ASN A 943 10.471 -7.809 -14.859 1.00 73.01 H new ATOM 0 HB2 ASN A 943 12.615 -7.935 -12.729 1.00 14.05 H new ATOM 0 HB3 ASN A 943 10.874 -7.905 -12.529 1.00 14.05 H new ATOM 0 HD21 ASN A 943 12.557 -11.402 -12.178 1.00 34.01 H new ATOM 0 HD22 ASN A 943 13.153 -9.808 -11.703 1.00 34.01 H new ATOM 562 N TYR A 944 11.767 -5.685 -15.791 1.00 5.32 N ATOM 563 CA TYR A 944 12.164 -4.295 -15.986 1.00 25.34 C ATOM 564 C TYR A 944 13.664 -4.121 -15.763 1.00 52.15 C ATOM 565 O TYR A 944 14.094 -3.243 -15.017 1.00 52.53 O ATOM 566 CB TYR A 944 11.387 -3.383 -15.035 1.00 43.13 C ATOM 567 CG TYR A 944 10.023 -2.989 -15.555 1.00 2.51 C ATOM 568 CD1 TYR A 944 9.142 -3.944 -16.045 1.00 52.03 C ATOM 569 CD2 TYR A 944 9.616 -1.660 -15.554 1.00 75.14 C ATOM 570 CE1 TYR A 944 7.895 -3.588 -16.522 1.00 0.13 C ATOM 571 CE2 TYR A 944 8.370 -1.295 -16.027 1.00 71.15 C ATOM 572 CZ TYR A 944 7.514 -2.262 -16.511 1.00 34.45 C ATOM 573 OH TYR A 944 6.272 -1.904 -16.983 1.00 12.11 O ATOM 0 H TYR A 944 11.316 -6.112 -16.600 1.00 5.32 H new ATOM 0 HA TYR A 944 11.933 -4.018 -17.015 1.00 25.34 H new ATOM 0 HB2 TYR A 944 11.269 -3.888 -14.076 1.00 43.13 H new ATOM 0 HB3 TYR A 944 11.971 -2.481 -14.851 1.00 43.13 H new ATOM 0 HD1 TYR A 944 9.437 -4.983 -16.053 1.00 52.03 H new ATOM 0 HD2 TYR A 944 10.285 -0.900 -15.177 1.00 75.14 H new ATOM 0 HE1 TYR A 944 7.223 -4.343 -16.901 1.00 0.13 H new ATOM 0 HE2 TYR A 944 8.068 -0.258 -16.018 1.00 71.15 H new ATOM 0 HH TYR A 944 6.159 -0.934 -16.904 1.00 12.11 H new ATOM 583 N ASN A 945 14.454 -4.965 -16.418 1.00 45.03 N ATOM 584 CA ASN A 945 15.906 -4.905 -16.293 1.00 63.35 C ATOM 585 C ASN A 945 16.557 -4.624 -17.644 1.00 63.13 C ATOM 586 O ASN A 945 17.033 -5.539 -18.318 1.00 10.32 O ATOM 587 CB ASN A 945 16.444 -6.218 -15.719 1.00 11.51 C ATOM 588 CG ASN A 945 17.599 -5.999 -14.761 1.00 41.10 C ATOM 589 OD1 ASN A 945 18.560 -5.299 -15.080 1.00 2.45 O ATOM 590 ND2 ASN A 945 17.510 -6.599 -13.580 1.00 32.50 N ATOM 0 H ASN A 945 14.114 -5.698 -17.040 1.00 45.03 H new ATOM 0 HA ASN A 945 16.154 -4.090 -15.613 1.00 63.35 H new ATOM 0 HB2 ASN A 945 15.640 -6.742 -15.201 1.00 11.51 H new ATOM 0 HB3 ASN A 945 16.770 -6.862 -16.536 1.00 11.51 H new ATOM 0 HD21 ASN A 945 18.257 -6.489 -12.894 1.00 32.50 H new ATOM 0 HD22 ASN A 945 16.695 -7.170 -13.358 1.00 32.50 H new ATOM 597 N ILE A 946 16.575 -3.354 -18.033 1.00 41.32 N ATOM 598 CA ILE A 946 17.169 -2.952 -19.302 1.00 62.12 C ATOM 599 C ILE A 946 18.592 -3.483 -19.435 1.00 64.25 C ATOM 600 O ILE A 946 19.018 -3.886 -20.519 1.00 74.21 O ATOM 601 CB ILE A 946 17.189 -1.420 -19.455 1.00 12.33 C ATOM 602 CG1 ILE A 946 17.845 -1.025 -20.780 1.00 34.53 C ATOM 603 CG2 ILE A 946 17.921 -0.780 -18.284 1.00 72.32 C ATOM 604 CD1 ILE A 946 17.150 -1.603 -21.993 1.00 53.50 C ATOM 0 H ILE A 946 16.185 -2.585 -17.488 1.00 41.32 H new ATOM 0 HA ILE A 946 16.548 -3.379 -20.090 1.00 62.12 H new ATOM 0 HB ILE A 946 16.161 -1.057 -19.458 1.00 12.33 H new ATOM 0 HG12 ILE A 946 17.856 0.062 -20.861 1.00 34.53 H new ATOM 0 HG13 ILE A 946 18.884 -1.355 -20.775 1.00 34.53 H new ATOM 0 HG21 ILE A 946 17.927 0.303 -18.407 1.00 72.32 H new ATOM 0 HG22 ILE A 946 17.414 -1.037 -17.354 1.00 72.32 H new ATOM 0 HG23 ILE A 946 18.947 -1.147 -18.252 1.00 72.32 H new ATOM 0 HD11 ILE A 946 17.668 -1.282 -22.897 1.00 53.50 H new ATOM 0 HD12 ILE A 946 17.162 -2.691 -21.935 1.00 53.50 H new ATOM 0 HD13 ILE A 946 16.118 -1.252 -22.023 1.00 53.50 H new ATOM 616 N LEU A 947 19.324 -3.483 -18.327 1.00 3.31 N ATOM 617 CA LEU A 947 20.701 -3.967 -18.318 1.00 55.44 C ATOM 618 C LEU A 947 20.784 -5.380 -18.886 1.00 44.34 C ATOM 619 O LEU A 947 21.581 -5.651 -19.785 1.00 13.14 O ATOM 620 CB LEU A 947 21.262 -3.942 -16.896 1.00 33.44 C ATOM 621 CG LEU A 947 21.108 -2.624 -16.136 1.00 23.21 C ATOM 622 CD1 LEU A 947 21.705 -2.739 -14.742 1.00 3.01 C ATOM 623 CD2 LEU A 947 21.762 -1.486 -16.906 1.00 13.21 C ATOM 0 H LEU A 947 18.987 -3.153 -17.422 1.00 3.31 H new ATOM 0 HA LEU A 947 21.297 -3.306 -18.948 1.00 55.44 H new ATOM 0 HB2 LEU A 947 20.774 -4.729 -16.321 1.00 33.44 H new ATOM 0 HB3 LEU A 947 22.322 -4.190 -16.941 1.00 33.44 H new ATOM 0 HG LEU A 947 20.045 -2.406 -16.036 1.00 23.21 H new ATOM 0 HD11 LEU A 947 21.586 -1.792 -14.216 1.00 3.01 H new ATOM 0 HD12 LEU A 947 21.192 -3.527 -14.190 1.00 3.01 H new ATOM 0 HD13 LEU A 947 22.765 -2.981 -14.819 1.00 3.01 H new ATOM 0 HD21 LEU A 947 21.643 -0.556 -16.351 1.00 13.21 H new ATOM 0 HD22 LEU A 947 22.823 -1.698 -17.036 1.00 13.21 H new ATOM 0 HD23 LEU A 947 21.289 -1.389 -17.883 1.00 13.21 H new ATOM 635 N GLN A 948 19.956 -6.275 -18.358 1.00 1.44 N ATOM 636 CA GLN A 948 19.936 -7.659 -18.814 1.00 22.45 C ATOM 637 C GLN A 948 19.287 -7.770 -20.189 1.00 73.40 C ATOM 638 O GLN A 948 19.670 -8.612 -21.002 1.00 33.02 O ATOM 639 CB GLN A 948 19.187 -8.538 -17.810 1.00 71.13 C ATOM 640 CG GLN A 948 19.770 -8.492 -16.407 1.00 70.32 C ATOM 641 CD GLN A 948 19.690 -9.830 -15.698 1.00 14.31 C ATOM 642 OE1 GLN A 948 19.782 -10.885 -16.326 1.00 1.03 O ATOM 643 NE2 GLN A 948 19.517 -9.793 -14.382 1.00 14.32 N ATOM 0 H GLN A 948 19.290 -6.066 -17.614 1.00 1.44 H new ATOM 0 HA GLN A 948 20.967 -8.005 -18.891 1.00 22.45 H new ATOM 0 HB2 GLN A 948 18.144 -8.223 -17.772 1.00 71.13 H new ATOM 0 HB3 GLN A 948 19.196 -9.569 -18.165 1.00 71.13 H new ATOM 0 HG2 GLN A 948 20.812 -8.175 -16.461 1.00 70.32 H new ATOM 0 HG3 GLN A 948 19.238 -7.742 -15.821 1.00 70.32 H new ATOM 0 HE21 GLN A 948 19.446 -8.896 -13.902 1.00 14.32 H new ATOM 0 HE22 GLN A 948 19.455 -10.662 -13.851 1.00 14.32 H new ATOM 652 N VAL A 949 18.301 -6.915 -20.443 1.00 61.54 N ATOM 653 CA VAL A 949 17.599 -6.917 -21.721 1.00 14.10 C ATOM 654 C VAL A 949 18.557 -6.650 -22.876 1.00 4.33 C ATOM 655 O VAL A 949 18.675 -7.456 -23.798 1.00 65.33 O ATOM 656 CB VAL A 949 16.476 -5.862 -21.746 1.00 23.35 C ATOM 657 CG1 VAL A 949 15.820 -5.812 -23.117 1.00 22.21 C ATOM 658 CG2 VAL A 949 15.448 -6.154 -20.664 1.00 35.44 C ATOM 0 H VAL A 949 17.971 -6.213 -19.781 1.00 61.54 H new ATOM 0 HA VAL A 949 17.160 -7.908 -21.839 1.00 14.10 H new ATOM 0 HB VAL A 949 16.915 -4.885 -21.545 1.00 23.35 H new ATOM 0 HG11 VAL A 949 15.030 -5.061 -23.115 1.00 22.21 H new ATOM 0 HG12 VAL A 949 16.566 -5.552 -23.868 1.00 22.21 H new ATOM 0 HG13 VAL A 949 15.394 -6.787 -23.352 1.00 22.21 H new ATOM 0 HG21 VAL A 949 14.662 -5.399 -20.696 1.00 35.44 H new ATOM 0 HG22 VAL A 949 15.012 -7.139 -20.832 1.00 35.44 H new ATOM 0 HG23 VAL A 949 15.932 -6.133 -19.687 1.00 35.44 H new ATOM 668 N VAL A 950 19.242 -5.511 -22.818 1.00 73.53 N ATOM 669 CA VAL A 950 20.192 -5.138 -23.859 1.00 4.34 C ATOM 670 C VAL A 950 21.242 -6.225 -24.060 1.00 52.14 C ATOM 671 O VAL A 950 21.485 -6.669 -25.183 1.00 74.21 O ATOM 672 CB VAL A 950 20.901 -3.812 -23.522 1.00 34.14 C ATOM 673 CG1 VAL A 950 21.928 -3.469 -24.589 1.00 41.05 C ATOM 674 CG2 VAL A 950 19.885 -2.690 -23.367 1.00 60.12 C ATOM 0 H VAL A 950 19.156 -4.832 -22.062 1.00 73.53 H new ATOM 0 HA VAL A 950 19.621 -5.014 -24.779 1.00 4.34 H new ATOM 0 HB VAL A 950 21.425 -3.931 -22.574 1.00 34.14 H new ATOM 0 HG11 VAL A 950 22.418 -2.530 -24.334 1.00 41.05 H new ATOM 0 HG12 VAL A 950 22.673 -4.263 -24.646 1.00 41.05 H new ATOM 0 HG13 VAL A 950 21.431 -3.368 -25.554 1.00 41.05 H new ATOM 0 HG21 VAL A 950 20.403 -1.761 -23.129 1.00 60.12 H new ATOM 0 HG22 VAL A 950 19.332 -2.569 -24.298 1.00 60.12 H new ATOM 0 HG23 VAL A 950 19.192 -2.935 -22.562 1.00 60.12 H new ATOM 684 N THR A 951 21.863 -6.651 -22.965 1.00 32.32 N ATOM 685 CA THR A 951 22.887 -7.686 -23.021 1.00 21.43 C ATOM 686 C THR A 951 22.360 -8.946 -23.699 1.00 50.53 C ATOM 687 O THR A 951 23.071 -9.589 -24.471 1.00 34.14 O ATOM 688 CB THR A 951 23.396 -8.050 -21.613 1.00 34.21 C ATOM 689 OG1 THR A 951 23.988 -6.903 -20.994 1.00 50.33 O ATOM 690 CG2 THR A 951 24.414 -9.179 -21.680 1.00 54.41 C ATOM 0 H THR A 951 21.674 -6.295 -22.028 1.00 32.32 H new ATOM 0 HA THR A 951 23.713 -7.281 -23.605 1.00 21.43 H new ATOM 0 HB THR A 951 22.545 -8.384 -21.019 1.00 34.21 H new ATOM 0 HG1 THR A 951 23.293 -6.379 -20.544 1.00 50.33 H new ATOM 0 HG21 THR A 951 24.759 -9.418 -20.674 1.00 54.41 H new ATOM 0 HG22 THR A 951 23.951 -10.060 -22.124 1.00 54.41 H new ATOM 0 HG23 THR A 951 25.262 -8.868 -22.290 1.00 54.41 H new ATOM 698 N GLU A 952 21.110 -9.291 -23.407 1.00 52.42 N ATOM 699 CA GLU A 952 20.489 -10.474 -23.990 1.00 55.14 C ATOM 700 C GLU A 952 20.429 -10.364 -25.511 1.00 44.32 C ATOM 701 O GLU A 952 20.948 -11.221 -26.228 1.00 0.11 O ATOM 702 CB GLU A 952 19.079 -10.667 -23.427 1.00 22.41 C ATOM 703 CG GLU A 952 18.501 -12.047 -23.694 1.00 51.12 C ATOM 704 CD GLU A 952 17.918 -12.686 -22.449 1.00 21.51 C ATOM 705 OE1 GLU A 952 18.512 -12.522 -21.363 1.00 64.12 O ATOM 706 OE2 GLU A 952 16.867 -13.351 -22.561 1.00 31.41 O ATOM 0 H GLU A 952 20.508 -8.768 -22.771 1.00 52.42 H new ATOM 0 HA GLU A 952 21.099 -11.339 -23.729 1.00 55.14 H new ATOM 0 HB2 GLU A 952 19.099 -10.493 -22.351 1.00 22.41 H new ATOM 0 HB3 GLU A 952 18.418 -9.916 -23.859 1.00 22.41 H new ATOM 0 HG2 GLU A 952 17.725 -11.971 -24.456 1.00 51.12 H new ATOM 0 HG3 GLU A 952 19.282 -12.692 -24.097 1.00 51.12 H new ATOM 713 N LEU A 953 19.793 -9.304 -25.997 1.00 45.52 N ATOM 714 CA LEU A 953 19.665 -9.080 -27.433 1.00 61.11 C ATOM 715 C LEU A 953 21.028 -9.129 -28.116 1.00 2.22 C ATOM 716 O LEU A 953 21.144 -9.555 -29.266 1.00 12.13 O ATOM 717 CB LEU A 953 18.996 -7.731 -27.701 1.00 74.14 C ATOM 718 CG LEU A 953 17.467 -7.735 -27.735 1.00 31.33 C ATOM 719 CD1 LEU A 953 16.910 -8.528 -26.562 1.00 54.52 C ATOM 720 CD2 LEU A 953 16.929 -6.312 -27.723 1.00 2.25 C ATOM 0 H LEU A 953 19.358 -8.586 -25.418 1.00 45.52 H new ATOM 0 HA LEU A 953 19.044 -9.875 -27.845 1.00 61.11 H new ATOM 0 HB2 LEU A 953 19.321 -7.028 -26.934 1.00 74.14 H new ATOM 0 HB3 LEU A 953 19.360 -7.351 -28.656 1.00 74.14 H new ATOM 0 HG LEU A 953 17.144 -8.216 -28.659 1.00 31.33 H new ATOM 0 HD11 LEU A 953 15.821 -8.520 -26.602 1.00 54.52 H new ATOM 0 HD12 LEU A 953 17.268 -9.556 -26.615 1.00 54.52 H new ATOM 0 HD13 LEU A 953 17.242 -8.076 -25.627 1.00 54.52 H new ATOM 0 HD21 LEU A 953 15.840 -6.335 -27.748 1.00 2.25 H new ATOM 0 HD22 LEU A 953 17.261 -5.805 -26.817 1.00 2.25 H new ATOM 0 HD23 LEU A 953 17.300 -5.775 -28.596 1.00 2.25 H new ATOM 732 N LEU A 954 22.058 -8.692 -27.400 1.00 5.01 N ATOM 733 CA LEU A 954 23.415 -8.688 -27.936 1.00 4.35 C ATOM 734 C LEU A 954 23.907 -10.110 -28.186 1.00 15.03 C ATOM 735 O LEU A 954 24.172 -10.493 -29.325 1.00 24.04 O ATOM 736 CB LEU A 954 24.363 -7.971 -26.972 1.00 11.10 C ATOM 737 CG LEU A 954 25.594 -7.318 -27.602 1.00 55.03 C ATOM 738 CD1 LEU A 954 25.178 -6.232 -28.583 1.00 24.12 C ATOM 739 CD2 LEU A 954 26.505 -6.747 -26.526 1.00 14.15 C ATOM 0 H LEU A 954 21.980 -8.336 -26.447 1.00 5.01 H new ATOM 0 HA LEU A 954 23.401 -8.156 -28.887 1.00 4.35 H new ATOM 0 HB2 LEU A 954 23.799 -7.202 -26.444 1.00 11.10 H new ATOM 0 HB3 LEU A 954 24.700 -8.689 -26.224 1.00 11.10 H new ATOM 0 HG LEU A 954 26.147 -8.082 -28.149 1.00 55.03 H new ATOM 0 HD11 LEU A 954 26.067 -5.778 -29.022 1.00 24.12 H new ATOM 0 HD12 LEU A 954 24.567 -6.669 -29.372 1.00 24.12 H new ATOM 0 HD13 LEU A 954 24.602 -5.469 -28.059 1.00 24.12 H new ATOM 0 HD21 LEU A 954 27.376 -6.286 -26.993 1.00 14.15 H new ATOM 0 HD22 LEU A 954 25.963 -5.997 -25.950 1.00 14.15 H new ATOM 0 HD23 LEU A 954 26.831 -7.548 -25.862 1.00 14.15 H new